SRI-42127

CAT: 0607-BA4889-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4889-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2727872-68-4

Form

A solid

Molecular Formula

C19H20N6O

Molecular Weight

348.40

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

CID 163415849

CAS Number	2727872-68-4
PubChem CID	163415849
IUPAC Name	3-(1H-indazol-6-yl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
Molecular Formula	C19H20N6O
Molecular Weight	348.4
XLogP	2.5
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	487

SMILES

CN(C1CCOCC1)C2=NN3C(=NC=C3C4=CC5=C(C=C4)C=NN5)C=C2

InChI

InChI=1S/C19H20N6O/c1-24(15-6-8-26-9-7-15)19-5-4-18-20-12-17(25(18)23-19)13-2-3-14-11-21-22-16(14)10-13/h2-5,10-12,15H,6-9H2,1H3,(H,21,22)

InChIKey

AEHZEVSNZUVPNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2727872-68-4

CID: 163415849

Formula: C19H20N6O

MW: 348.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	348.16985928
Monoisotopic Mass	348.16985928
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes